N2-(4-ethoxyphenyl)-6-[(3R)-3-methylpiperidin-1-yl]-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-(4-ethoxyphenyl)-6-[(3R)-3-methylpiperidin-1-yl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-(4-ethoxyphenyl)-6-[(3R)-3-methyl-1-piperidyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(4-ethoxyphenyl)-6-[(3R)-3-methyl-1-piperidinyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-(4-ethoxyphenyl)-6-[(3R)-3-methylpiperidin-1-yl]-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-[(3R)-3-methylpiperidino]-5-nitro-pyrimidin-2-yl]-p-phenetyl-amine Formula: C18H24N6O3 MolecularWeight: 372.42156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCCC(C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCC[C@H](C3)C

InChI

InChI=1S/C18H24N6O3/c1-3-27-14-8-6-13(7-9-14)20-18-21-16(19)15(24(25)26)17(22-18)23-10-4-5-12(2)11-23/h6-9,12H,3-5,10-11H2,1-2H3,(H3,19,20,21,22)/t12-/m1/s1